bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)

C50H78N10O3S3 — CID 162090984

IUPACbis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C
InChIInChI=1S/2C7H12N2.3C6H9NO.3C6H9NS/c2*1-5-6(2)9(4)7(3)8-5;6*1-4-5(2)8-6(3)7-4/h2*1-4H3;6*1-3H3
InChIKeyZDPJGVYAVTVMLP-UHFFFAOYSA-N
MW963.44 g/mol
LogP13.70
Rot. Bonds

About bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)

bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole) (PubChem CID 162090984) has the molecular formula C50H78N10O3S3 and a molecular weight of 963.44 g/mol. Its IUPAC name is bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole).

Molecular Properties

Compound Namebis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)
PubChem CID162090984
Molecular FormulaC50H78N10O3S3
Molecular Weight963.44 g/mol
Exact Mass962.54
IUPAC Namebis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C
InChIInChI=1S/2C7H12N2.3C6H9NO.3C6H9NS/c2*1-5-6(2)9(4)7(3)8-5;6*1-4-5(2)8-6(3)7-4/h2*1-4H3;6*1-3H3
InChIKeyZDPJGVYAVTVMLP-UHFFFAOYSA-N
XLogP13.70
TPSA152.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.44
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

1,2-Dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,4,5-trimethylimidazole
CID 157697312
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)
CID 158899225
1,2-Dimethylimidazole;1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;1,4,5-trimethylimidazole
CID 158927458
4,5-Dimethyl-2-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole
CID 158939891
4,5-Dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)
CID 159051044
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole
CID 159151122
1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-3H-pyrrole;2,4,5-trimethyl-1,3-thiazole
CID 159468515
2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;methane;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
CID 159817633
1,2,3,4,5-Pentamethylimidazol-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-selenazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium;3,4,5-trimethyl-1,2,4-oxadiazol-4-ium;3,4,5-trimethyl-1,2,4-selenadiazol-4-ium;3,4,5-trimethyl-1,2,4-thiadiazol-4-ium
CID 160065585

Frequently Asked Questions

What is the IUPAC name of bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)?
The IUPAC name of bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole) (CID 162090984) is bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole).
What is the SMILES notation for bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)?
The canonical SMILES for bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole) is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.
What is the InChIKey of bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)?
The InChIKey is ZDPJGVYAVTVMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2.3C6H9NO.3C6H9NS/c2*1-5-6(2)9(4)7(3)8-5;6*1-4-5(2)8-6(3)7-4/h2*1-4H3;6*1-3H3.
What are the key properties of bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)?
bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole) has a molecular weight of 963.44 g/mol, XLogP of 13.70, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,4,5-tetramethylimidazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(2,4,5-trimethyl-1,3-thiazole) is sourced from PubChem (CID 162090984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).